Crystallography Open Database

Information card for entry 7714181

Preview

Coordinates	7714181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Cl2 F6 N4 O3 P Re
Calculated formula	C24 H18 Cl2 F6 N4 O3 P Re
SMILES	c12cccc3c4cccc5C(=[O][Re]([O]=C1Nc1ccccc1)(=O)([n]23)([n]45)(Cl)Cl)Nc1ccccc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Synthesis and bonding analysis of pentagonal bipyramidal rhenium carboxamide oxo complexes.
Authors of publication	McMillion, Noah D.; Bruch, Quinton J.; Chen, Chun-Hsing; Hasanayn, Faraj; Miller, Alexander J. M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
a	7.0838 ± 0.0002 Å
b	14.3946 ± 0.0003 Å
c	25.8235 ± 0.0006 Å
α	90°
β	91.8555 ± 0.0012°
γ	90°
Cell volume	2631.8 ± 0.11 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Ambient diffracton pressure	101 kPa
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0299
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for all reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0386
Weighted residual factors for all reflections included in the refinement	0.0386
Goodness-of-fit parameter for all reflections included in the refinement	0.9977
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
286884 (current)	2023-10-11	cif/ Adding structures of 7714180, 7714181, 7714182 via cif-deposit CGI script.	7714181.cif